sodium 3-(acetyloxymethyl)-7-benzamido-7-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 3-(acetyloxymethyl)-7-benzamido-7-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 3-(acetoxymethyl)-7-benzamido-7-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 3-(acetyloxymethyl)-7-benzamido-7-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 3-(acetyloxymethyl)-7-benzamido-7-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 3-(acetoxymethyl)-7-benzamido-7-hydroxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C17H15N2NaO7S MolecularWeight: 414.36497

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)C3=CC=CC=C3)O)SC1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)C3=CC=CC=C3)O)SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H16N2O7S.Na/c1-9(20)26-7-11-8-27-16-17(25,15(24)19(16)12(11)14(22)23)18-13(21)10-5-3-2-4-6-10;/h2-6,16,25H,7-8H2,1H3,(H,18,21)(H,22,23);/q;+1/p-1